Crystal structure of the co-crystalline adduct 1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane (TATD)–4-iodophenol (1/2): supramolecular assembly mediated by halogen and hydrogen bonding
The asymmetric unit of the title co-crystalline adduct, 1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane (TATD)–4-iodophenol (1/2), C8H16N4·2C6H5IO, comprises a half molecule of the aminal cage polyamine plus a 4-iodophenol molecule. A twofold rotation axis generates the other half of the adduct. The co...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2017-11-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989017014943 |
| _version_ | 1828838555825209344 |
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| author | Augusto Rivera Jicli José Rojas Jaime Ríos-Motta Michael Bolte |
| author_facet | Augusto Rivera Jicli José Rojas Jaime Ríos-Motta Michael Bolte |
| author_sort | Augusto Rivera |
| collection | DOAJ |
| description | The asymmetric unit of the title co-crystalline adduct, 1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane (TATD)–4-iodophenol (1/2), C8H16N4·2C6H5IO, comprises a half molecule of the aminal cage polyamine plus a 4-iodophenol molecule. A twofold rotation axis generates the other half of the adduct. The components are linked by two intermolecular O—H...N hydrogen bonds. The adducts are further linked into a three-dimensional framework structure by a combination of N...I halogen bonds and weak non-conventional C—H...O and C—H...I hydrogen bonds. |
| first_indexed | 2024-12-12T19:04:56Z |
| format | Article |
| id | doaj.art-4a0ff1df4d754ef49e72899a8ddfdd74 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-12T19:04:56Z |
| publishDate | 2017-11-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-4a0ff1df4d754ef49e72899a8ddfdd742022-12-22T00:14:59ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902017-11-0173111692169510.1107/S2056989017014943sj5537Crystal structure of the co-crystalline adduct 1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane (TATD)–4-iodophenol (1/2): supramolecular assembly mediated by halogen and hydrogen bondingAugusto Rivera0Jicli José Rojas1Jaime Ríos-Motta2Michael Bolte3Universidad Nacional de Colombia, Sede Bogotá, Facultad de Ciencias, Departamento de Química, Cra 30 No. 45-03, Bogotá, Código, Postal 111321, ColombiaUniversidad Nacional de Colombia, Sede Bogotá, Facultad de Ciencias, Departamento de Química, Cra 30 No. 45-03, Bogotá, Código, Postal 111321, ColombiaUniversidad Nacional de Colombia, Sede Bogotá, Facultad de Ciencias, Departamento de Química, Cra 30 No. 45-03, Bogotá, Código, Postal 111321, ColombiaInstitut für Anorganische Chemie, J. W. Goethe-Universität Frankfurt, Max-von Laue-Strasse 7, 60438 Frankfurt/Main, GermanyThe asymmetric unit of the title co-crystalline adduct, 1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane (TATD)–4-iodophenol (1/2), C8H16N4·2C6H5IO, comprises a half molecule of the aminal cage polyamine plus a 4-iodophenol molecule. A twofold rotation axis generates the other half of the adduct. The components are linked by two intermolecular O—H...N hydrogen bonds. The adducts are further linked into a three-dimensional framework structure by a combination of N...I halogen bonds and weak non-conventional C—H...O and C—H...I hydrogen bonds.http://scripts.iucr.org/cgi-bin/paper?S2056989017014943crystal structureco-crystalline adducthydrogen bondinghalogen bondingTATD |
| spellingShingle | Augusto Rivera Jicli José Rojas Jaime Ríos-Motta Michael Bolte Crystal structure of the co-crystalline adduct 1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane (TATD)–4-iodophenol (1/2): supramolecular assembly mediated by halogen and hydrogen bonding Acta Crystallographica Section E: Crystallographic Communications crystal structure co-crystalline adduct hydrogen bonding halogen bonding TATD |
| title | Crystal structure of the co-crystalline adduct 1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane (TATD)–4-iodophenol (1/2): supramolecular assembly mediated by halogen and hydrogen bonding |
| title_full | Crystal structure of the co-crystalline adduct 1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane (TATD)–4-iodophenol (1/2): supramolecular assembly mediated by halogen and hydrogen bonding |
| title_fullStr | Crystal structure of the co-crystalline adduct 1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane (TATD)–4-iodophenol (1/2): supramolecular assembly mediated by halogen and hydrogen bonding |
| title_full_unstemmed | Crystal structure of the co-crystalline adduct 1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane (TATD)–4-iodophenol (1/2): supramolecular assembly mediated by halogen and hydrogen bonding |
| title_short | Crystal structure of the co-crystalline adduct 1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane (TATD)–4-iodophenol (1/2): supramolecular assembly mediated by halogen and hydrogen bonding |
| title_sort | crystal structure of the co crystalline adduct 1 3 6 8 tetraazatricyclo 4 4 1 13 8 dodecane tatd 4 iodophenol 1 2 supramolecular assembly mediated by halogen and hydrogen bonding |
| topic | crystal structure co-crystalline adduct hydrogen bonding halogen bonding TATD |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989017014943 |
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